N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

C16H21ClN4O — CID 131935802

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2cc(Cl)ccc2N(C)C)n1
InChIInChI=1S/C16H21ClN4O/c1-10-8-11(2)21(19-10)12(3)16(22)18-14-9-13(17)6-7-15(14)20(4)5/h6-9,12H,1-5H3,(H,18,22)
InChIKeyGBZLLECIOCTCDO-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.42
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 131935802) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID131935802
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2cc(Cl)ccc2N(C)C)n1
InChIInChI=1S/C16H21ClN4O/c1-10-8-11(2)21(19-10)12(3)16(22)18-14-9-13(17)6-7-15(14)20(4)5/h6-9,12H,1-5H3,(H,18,22)
InChIKeyGBZLLECIOCTCDO-UHFFFAOYSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide
CID 56784832
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
N-(4-chloro-2-nitrophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538750
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 71987142
2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide
CID 75391584
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (CID 131935802) is N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(C(C)C(=O)Nc2cc(Cl)ccc2N(C)C)n1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is GBZLLECIOCTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-10-8-11(2)21(19-10)12(3)16(22)18-14-9-13(17)6-7-15(14)20(4)5/h6-9,12H,1-5H3,(H,18,22).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 320.82 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 131935802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).